![(2S)-1,2-O-6,9,12,15-DIOCTADECATETRAENOYL-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''''->6''')-O-BETA-D-GALACTOPYRANOSYL]-GLYCEROL](/api/spectrum/HpDH5y8FDFD/structure.png?h=300&w=458 "(2S)-1,2-O-6,9,12,15-DIOCTADECATETRAENOYL-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''''->6''')-O-BETA-D-GALACTOPYRANOSYL]-GLYCEROL")
| SpectraBase Compound ID | IJ7UJgef8jb |
|---|---|
| InChI | InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41+,44+,45-,46+,47-,48-,49+,50+,51+/m0/s1 |
| InChIKey | VXOQBABFAYTJKD-GIJVPISQSA-N |
| Mol Weight | 933.2 g/mol |
| Molecular Formula | C51H80O15 |
| Exact Mass | 932.549722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpDH5y8FDFD |
|---|---|
| Name | (2S)-1,2-O-6,9,12,15-DIOCTADECATETRAENOYL-3-O-[ALPHA-D-GALACTOPYRANOSYL-(1''''->6''')-O-BETA-D-GALACTOPYRANOSYL]-GLYCEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O15 |
| InChI | InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41+,44+,45-,46+,47-,48-,49+,50+,51+/m0/s1 |
| InChIKey | VXOQBABFAYTJKD-GIJVPISQSA-N |
| Literature Reference Author | J.WU,L.LONG,Y.SONG,S.ZHANG,Q.LI,J.HUANG,Z.XIAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,330(2005) |
| Literature Reference DOI | 10.1248/cpb.53.330 |
| Molecular Weight | 933.187 g/mol |
| Sample ID | 53902 |
| Solvent | CD3OD |